Chemical Properties of Butanoic acid, 3-methyl- (CAS 503-74-2)

Butanoic acid, 3-methyl-

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InChI
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key
GWYFCOCPABKNJV-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(C)CC(=O)O
Molecular Weight1
102.13
CAS
503-74-2
Other Names
  • 3-METHYLBUTANOIC ACID
  • 3-Methyl-n-butyric acid
  • 3-Methylbutyric acid
  • 3-methylbutanoic acid (isovaleric acid)
  • Acetic acid, isopropyl-
  • Butyric acid, 3-methyl-
  • DELPHINIC ACID
  • ISOPENTANOIC ACID
  • ISOVALERIC ACID
  • Isobutylformic acid
  • Isopropylacetic acid
  • Isovalerianic acid
  • Kyselina isovalerova
  • Methylbutanoic acid
  • NSC 62783
  • iso-C4H9COOH
  • «beta»-Methylbutyric acid
  • «beta»-Methylbutyric acid
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Physical Properties

Property Value Unit Source
Δcliquid -2835.10 ± 5.90 kJ/mol NIST
μ 1.00 debye KDB
Δf -276.96 kJ/mol Joback Calculated Property
Δfgas -502.50 ± 6.60 kJ/mol NIST
Δfliquid -561.60 ± 5.90 kJ/mol NIST
Δfus 10.87 kJ/mol Joback Calculated Property
Δvap [46.91; 61.20] kJ/mol Show Hide
Δvap 61.20 ± 0.30 kJ/mol NIST
Δvap 57.50 ± 3.00 kJ/mol NIST
Δvap 58.00 ± 3.00 kJ/mol NIST
Δvap 46.91 ± 0.18 kJ/mol NIST
IE 10.51 eV NIST
log10WS -0.77 Crippen Calculated Property
logPoct/wat 1.117 Crippen Calculated Property
McVol 88.750 ml/mol McGowan Calculated Property
Pc [3400.00; 3400.00] kPa Show Hide
Pc 3400.00 kPa KDB
Pc 3400.00 ± 25.00 kPa NIST
Inp [806.00; 901.80]   Show Hide
Inp 875.00 NIST
Inp 875.00 NIST
Inp 839.00 NIST
Inp 888.00 NIST
Inp 867.00 NIST
Inp 875.00 NIST
Inp 873.00 NIST
Inp 839.00 NIST
Inp 851.00 NIST
Inp 882.00 NIST
Inp 875.00 NIST
Inp 834.00 NIST
Inp 848.00 NIST
Inp 850.00 NIST
Inp 857.00 NIST
Inp 876.00 NIST
Inp 866.00 NIST
Inp 833.00 NIST
Inp 872.00 NIST
Inp 816.00 NIST
Inp 839.00 NIST
Inp 827.00 NIST
Inp 878.00 NIST
Inp 826.00 NIST
Inp 826.00 NIST
Inp 881.40 NIST
Inp 870.00 NIST
Inp 841.00 NIST
Inp 878.00 NIST
Inp 879.00 NIST
Inp 876.00 NIST
Inp 870.00 NIST
Inp 858.00 NIST
Inp 826.00 NIST
Inp 825.00 NIST
Inp 877.00 NIST
Inp 878.00 NIST
Inp 880.00 NIST
Inp 875.00 NIST
Inp 874.00 NIST
Inp 877.00 NIST
Inp 875.00 NIST
Inp 873.00 NIST
Inp 867.00 NIST
Inp 872.00 NIST
Inp 837.00 NIST
Inp 817.00 NIST
Inp 845.00 NIST
Inp 875.00 NIST
Inp 827.00 NIST
Inp 838.00 NIST
Inp 831.00 NIST
Inp 840.00 NIST
Inp 843.00 NIST
Inp 843.00 NIST
Inp 858.00 NIST
Inp Outlier 901.80 NIST
Inp 864.00 NIST
Inp 834.00 NIST
Inp 836.00 NIST
Inp 888.70 NIST
Inp 878.00 NIST
Inp 855.00 NIST
Inp 873.00 NIST
Inp 878.00 NIST
Inp 820.00 NIST
Inp 830.00 NIST
Inp 828.00 NIST
Inp 835.00 NIST
Inp Outlier 900.00 NIST
Inp 873.00 NIST
Inp 844.00 NIST
Inp 838.00 NIST
Inp 868.00 NIST
Inp 868.00 NIST
Inp 836.00 NIST
Inp 842.00 NIST
Inp 878.00 NIST
Inp 840.00 NIST
Inp 819.00 NIST
Inp 819.00 NIST
Inp 867.00 NIST
Inp 840.00 NIST
Inp 843.00 NIST
Inp 838.00 NIST
Inp 842.00 NIST
Inp 830.00 NIST
Inp 830.00 NIST
Inp 830.00 NIST
Inp 812.00 NIST
Inp Outlier 808.00 NIST
Inp 834.00 NIST
Inp 842.00 NIST
Inp 829.00 NIST
Inp 828.00 NIST
Inp 866.00 NIST
Inp 840.00 NIST
Inp 829.00 NIST
Inp 836.00 NIST
Inp 898.00 NIST
Inp 875.00 NIST
Inp 834.00 NIST
Inp 841.00 NIST
Inp Outlier 807.00 NIST
Inp 831.00 NIST
Inp 869.00 NIST
Inp 875.00 NIST
Inp 875.00 NIST
Inp 878.00 NIST
Inp 875.00 NIST
Inp 875.00 NIST
Inp Outlier 807.00 NIST
Inp 875.00 NIST
Inp 875.00 NIST
Inp 875.00 NIST
Inp Outlier 806.00 NIST
Inp 898.00 NIST
Inp 841.00 NIST
Inp 841.00 NIST
Inp 856.00 NIST
Inp 833.00 NIST
Inp 839.00 NIST
Inp 876.00 NIST
Inp 869.00 NIST
Inp 837.00 NIST
Inp 869.00 NIST
Inp 898.00 NIST
Inp 876.00 NIST
Inp 876.00 NIST
Inp 845.00 NIST
Inp 898.00 NIST
Inp 848.00 NIST
Inp 812.00 NIST
Inp 842.00 NIST
Inp 871.00 NIST
Inp 861.00 NIST
Inp 845.00 NIST
Inp 877.00 NIST
Inp 843.00 NIST
Inp 848.00 NIST
Inp 851.00 NIST
Inp 851.00 NIST
Inp 860.00 NIST
Inp 858.00 NIST
Inp 812.00 NIST
Inp 828.00 NIST
Inp 898.00 NIST
Inp 831.00 NIST
Inp 875.00 NIST
Inp 856.00 NIST
Inp 837.00 NIST
Inp 845.00 NIST
Inp 871.00 NIST
Inp 848.00 NIST
Inp 867.00 NIST
Inp 843.00 NIST
Inp 834.00 NIST
Inp 873.00 NIST
Inp 835.00 NIST
Inp 868.00 NIST
Inp 840.00 NIST
Inp 830.00 NIST
Inp 839.00 NIST
Inp 833.00 NIST
Inp 878.00 NIST
Inp 841.00 NIST
Inp 858.00 NIST
Inp 880.00 NIST
I [1621.00; 1715.00]   Show Hide
I Outlier 1627.00 NIST
I Outlier 1624.00 NIST
I Outlier 1626.00 NIST
I 1666.00 NIST
I 1680.00 NIST
I 1686.00 NIST
I 1667.00 NIST
I 1666.00 NIST
I 1645.00 NIST
I 1679.00 NIST
I 1644.00 NIST
I 1657.00 NIST
I 1660.00 NIST
I 1648.00 NIST
I 1686.00 NIST
I 1687.00 NIST
I 1647.00 NIST
I 1684.00 NIST
I 1679.00 NIST
I 1664.00 NIST
I 1638.00 NIST
I Outlier 1621.00 NIST
I 1651.00 NIST
I 1691.00 NIST
I 1694.00 NIST
I 1645.00 NIST
I 1676.00 NIST
I 1678.00 NIST
I 1682.00 NIST
I 1685.00 NIST
I 1675.00 NIST
I 1682.00 NIST
I 1655.00 NIST
I 1647.00 NIST
I 1660.00 NIST
I 1661.00 NIST
I 1649.00 NIST
I 1674.00 NIST
I 1653.00 NIST
I 1642.00 NIST
I 1645.00 NIST
I 1667.00 NIST
I 1677.00 NIST
I 1680.00 NIST
I 1687.00 NIST
I 1667.00 NIST
I 1677.00 NIST
I 1680.00 NIST
I 1677.00 NIST
I 1663.00 NIST
I 1664.00 NIST
I 1667.00 NIST
I 1684.00 NIST
I 1688.00 NIST
I 1682.00 NIST
I 1670.00 NIST
I 1673.00 NIST
I Outlier 1715.00 NIST
I 1665.00 NIST
I 1649.00 NIST
I 1645.00 NIST
I 1643.00 NIST
I 1682.00 NIST
I 1660.00 NIST
I 1663.00 NIST
I 1683.00 NIST
I 1671.00 NIST
I 1698.00 NIST
I 1698.00 NIST
I 1698.00 NIST
I 1663.00 NIST
I 1700.00 NIST
I Outlier 1706.00 NIST
I 1660.00 NIST
I 1686.00 NIST
I Outlier 1705.00 NIST
I 1669.00 NIST
I 1666.00 NIST
I 1660.00 NIST
I 1659.00 NIST
I 1659.00 NIST
I 1665.00 NIST
I 1664.00 NIST
I 1652.00 NIST
I 1659.00 NIST
I 1658.00 NIST
I 1662.00 NIST
I 1670.00 NIST
I 1636.00 NIST
I 1646.00 NIST
I 1653.00 NIST
I 1676.00 NIST
I 1660.00 NIST
I 1655.00 NIST
I 1655.00 NIST
I 1645.00 NIST
I 1666.00 NIST
I 1660.00 NIST
I 1671.00 NIST
I 1651.00 NIST
I 1681.00 NIST
I 1688.00 NIST
I 1653.00 NIST
I 1667.00 NIST
I 1665.00 NIST
I 1690.00 NIST
I 1675.00 NIST
I 1675.00 NIST
I 1662.00 NIST
I 1656.00 NIST
I Outlier 1630.00 NIST
I 1687.00 NIST
I 1670.00 NIST
I 1689.00 NIST
I 1690.00 NIST
I 1668.00 NIST
I 1672.00 NIST
I 1652.00 NIST
I 1700.00 NIST
I 1687.00 NIST
I 1660.00 NIST
I 1655.00 NIST
I 1686.00 NIST
I 1652.00 NIST
I 1655.00 NIST
I 1688.00 NIST
I 1679.00 NIST
I 1670.00 NIST
I 1688.00 NIST
I 1685.00 NIST
I 1689.00 NIST
I 1691.00 NIST
I 1665.00 NIST
I 1656.00 NIST
I 1690.00 NIST
I 1676.00 NIST
I 1684.00 NIST
I 1660.00 NIST
I 1688.00 NIST
I 1669.00 NIST
I 1663.00 NIST
I 1688.00 NIST
I 1652.00 NIST
I 1652.00 NIST
I 1687.00 NIST
I 1665.00 NIST
I Outlier 1630.00 NIST
I Outlier 1630.00 NIST
I 1654.00 NIST
I 1659.00 NIST
I 1658.00 NIST
I 1686.00 NIST
I 1680.00 NIST
I 1662.00 NIST
I 1671.00 NIST
I 1686.00 NIST
I 1657.00 NIST
I 1657.00 NIST
I 1657.00 NIST
I 1661.00 NIST
I 1661.00 NIST
I 1680.00 NIST
I 1665.00 NIST
I 1666.00 NIST
I 1669.00 NIST
I 1655.00 NIST
I 1660.00 NIST
I 1674.00 NIST
I 1665.00 NIST
I 1697.00 NIST
I 1660.00 NIST
I 1636.00 NIST
I 1678.00 NIST
I 1633.00 NIST
I 1643.00 NIST
I 1679.00 NIST
I Outlier 1631.00 NIST
I Outlier 1631.00 NIST
I 1665.00 NIST
I 1673.00 NIST
I Outlier 1631.00 NIST
I 1660.00 NIST
I 1650.00 NIST
I 1680.00 NIST
I 1684.00 NIST
I 1659.00 NIST
I 1667.00 NIST
I 1684.00 NIST
I 1674.00 NIST
I 1667.00 NIST
I 1692.00 NIST
I 1675.00 NIST
I 1673.00 NIST
I 1675.00 NIST
I 1662.00 NIST
I 1662.00 NIST
I 1670.00 NIST
I 1672.00 NIST
I 1646.00 NIST
I 1667.00 NIST
I 1668.00 NIST
I 1655.00 NIST
I 1703.00 NIST
I 1660.00 NIST
I 1661.00 NIST
I 1680.00 NIST
I 1662.00 NIST
I 1661.00 NIST
I 1672.00 NIST
I 1662.00 NIST
I 1680.00 NIST
I 1680.00 NIST
I Outlier 1707.00 NIST
I 1703.00 NIST
I 1682.00 NIST
I 1639.00 NIST
I 1671.00 NIST
I 1639.00 NIST
I 1645.00 NIST
I 1685.00 NIST
I 1660.00 NIST
I 1660.00 NIST
I 1661.00 NIST
I 1673.00 NIST
I 1687.00 NIST
I 1669.00 NIST
I 1678.00 NIST
I 1666.00 NIST
I 1694.00 NIST
I 1678.00 NIST
I 1664.00 NIST
I 1665.00 NIST
I 1664.00 NIST
I 1689.00 NIST
I 1696.00 NIST
I 1660.00 NIST
I 1636.00 NIST
I 1671.00 NIST
I 1686.00 NIST
I 1647.00 NIST
I 1668.00 NIST
I 1651.00 NIST
I 1670.00 NIST
I 1657.00 NIST
I 1665.00 NIST
I 1652.00 NIST
I 1652.00 NIST
I 1657.00 NIST
I 1665.00 NIST
I 1670.00 NIST
I 1657.00 NIST
I 1665.00 NIST
I 1688.00 NIST
I 1675.00 NIST
I 1687.00 NIST
I 1672.00 NIST
I 1655.00 NIST
I 1679.00 NIST
I 1691.00 NIST
I 1684.00 NIST
I Outlier 1630.00 NIST
I 1686.00 NIST
I 1657.00 NIST
I 1680.00 NIST
I 1660.00 NIST
I 1636.00 NIST
I Outlier 1631.00 NIST
I 1666.00 NIST
I 1682.00 NIST
I 1698.00 NIST
I Outlier 1706.00 NIST
I 1664.00 NIST
I 1670.00 NIST
I Outlier 1627.00 NIST
I 1694.00 NIST
I 1685.00 NIST
I 1642.00 NIST
I 1663.00 NIST
I 1649.00 NIST
I 1674.00 NIST
I 1646.00 NIST
I 1703.00 NIST
I 1645.00 NIST
I 1673.00 NIST
I 1689.00 NIST
I 1665.00 NIST
Tboil [444.65; 450.15] K Show Hide
Tboil 449.70 K KDB
Tboil 449.70 K NIST
Tboil 449.85 ± 0.50 K NIST
Tboil 448.90 ± 2.00 K NIST
Tboil 449.85 ± 1.00 K NIST
Tboil 447.15 ± 2.00 K NIST
Tboil 450.15 ± 1.00 K NIST
Tboil 449.40 ± 0.50 K NIST
Tboil 449.65 ± 1.00 K NIST
Tboil 449.70 ± 0.60 K NIST
Tboil Outlier 445.15 ± 3.00 K NIST
Tboil 449.65 ± 0.30 K NIST
Tboil 448.45 ± 1.50 K NIST
Tboil 449.65 ± 0.20 K NIST
Tboil 447.15 ± 3.00 K NIST
Tboil 447.65 ± 3.00 K NIST
Tboil 449.30 ± 1.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil 449.85 ± 0.50 K NIST
Tboil 448.15 ± 3.00 K NIST
Tboil 449.15 ± 2.00 K NIST
Tboil Outlier 444.65 ± 4.00 K NIST
Tboil 446.85 ± 3.00 K NIST
Tboil 446.40 ± 1.50 K NIST
Tboil 448.15 ± 3.00 K NIST
Tc [629.00; 633.83] K Show Hide
Tc 629.00 K KDB
Tc 629.00 ± 1.00 K NIST
Tc 633.83 ± 6.00 K NIST
Tfus [235.15; 243.85] K Show Hide
Tfus 243.80 K KDB
Tfus 243.85 ± 0.40 K NIST
Tfus 243.00 ± 2.00 K NIST
Tfus 243.15 ± 0.40 K NIST
Tfus 235.15 ± 0.50 K NIST
Vc 0.335 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [183.94; 227.44] J/mol×K [459.41; 635.76] Show Hide
Cp,gas 183.94 J/mol×K 459.41 Joback Calculated Property
Cp,gas 191.99 J/mol×K 488.80 Joback Calculated Property
Cp,gas 199.72 J/mol×K 518.19 Joback Calculated Property
Cp,gas 207.12 J/mol×K 547.58 Joback Calculated Property
Cp,gas 214.20 J/mol×K 576.97 Joback Calculated Property
Cp,gas 220.97 J/mol×K 606.37 Joback Calculated Property
Cp,gas 227.44 J/mol×K 635.76 Joback Calculated Property
Cp,liquid 197.10 J/mol×K 298.00 NIST
η [0.0002315; 0.0540168] Pa×s [241.86; 459.41] Show Hide
η 0.0540168 Pa×s 241.86 Joback Calculated Property
η 0.0120393 Pa×s 278.12 Joback Calculated Property
η 0.0037936 Pa×s 314.38 Joback Calculated Property
η 0.0015179 Pa×s 350.63 Joback Calculated Property
η 0.0007211 Pa×s 386.89 Joback Calculated Property
η 0.0003892 Pa×s 423.15 Joback Calculated Property
η 0.0002315 Pa×s 459.41 Joback Calculated Property
ΔvapH [45.90; 60.70] kJ/mol [308.00; 422.00] Show Hide
ΔvapH 60.70 ± 0.30 kJ/mol 308.00 NIST
ΔvapH 45.90 kJ/mol 368.50 NIST
ΔvapH 56.60 kJ/mol 377.50 NIST
ΔvapH 55.80 kJ/mol 414.00 NIST
ΔvapH 53.80 kJ/mol 422.00 NIST
Pvap [14.56; 100.08] kPa [396.05; 447.92] Show Hide
Pvap 14.56 kPa 396.05 Subatmo...
Pvap 19.59 kPa 402.90 Subatmo...
Pvap 29.65 kPa 412.87 Subatmo...
Pvap 39.72 kPa 420.70 Subatmo...
Pvap 49.78 kPa 427.18 Subatmo...
Pvap 59.86 kPa 432.62 Subatmo...
Pvap 69.92 kPa 437.44 Subatmo...
Pvap 79.99 kPa 441.60 Subatmo...
Pvap 90.07 kPa 445.16 Subatmo...
Pvap 95.10 kPa 446.60 Subatmo...
Pvap 100.08 kPa 447.92 Subatmo...
n0 [1.39970; 1.39970]   [303.15; 303.15] Show Hide
n0 1.39970 303.15 Liquid ...
n0 1.39970 303.15 Phase e...
ρl [921.34; 925.00] kg/m3 [293.00; 298.20] Show Hide
ρl 925.00 kg/m3 293.00 KDB
ρl 921.34 kg/m3 298.20 Optimiz...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [342.61; 472.92] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.58362e+01
Coefficient B-4.24459e+03
Coefficient C-6.96200e+01
Temperature range, min.342.61
Temperature range, max.472.92
Pvap 1.33 kPa 342.61 Calculated Property
Pvap 2.92 kPa 357.09 Calculated Property
Pvap 5.92 kPa 371.57 Calculated Property
Pvap 11.27 kPa 386.05 Calculated Property
Pvap 20.27 kPa 400.53 Calculated Property
Pvap 34.70 kPa 415.00 Calculated Property
Pvap 56.89 kPa 429.48 Calculated Property
Pvap 89.78 kPa 443.96 Calculated Property
Pvap 136.94 kPa 458.44 Calculated Property
Pvap 202.65 kPa 472.92 Calculated Property
Pvap [2.30e-04; 3744.47] kPa [243.85; 634.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.32738e+01
Coefficient B-9.82508e+03
Coefficient C-9.36761e+00
Coefficient D2.21795e-06
Temperature range, min.243.85
Temperature range, max.634.00
Pvap 2.30e-04 kPa 243.85 Calculated Property
Pvap 0.02 kPa 287.20 Calculated Property
Pvap 0.58 kPa 330.55 Calculated Property
Pvap 6.13 kPa 373.90 Calculated Property
Pvap 36.29 kPa 417.25 Calculated Property
Pvap 143.47 kPa 460.60 Calculated Property
Pvap 424.61 kPa 503.95 Calculated Property
Pvap 1015.83 kPa 547.30 Calculated Property
Pvap 2072.21 kPa 590.65 Calculated Property
Pvap 3744.47 kPa 634.00 Calculated Property

Similar Compounds

3-Methylglutaric acid. Pentanoic acid, 3-methyl-. Methyl isovalerate. 3,4-Dimethylpentanoic acid. 2-Methylbutanoic anhydride. Butanedioic acid, methyl-. 2,3-methylbutanoic acid. Monochloromethyl isopentanoate. Butanoic acid, 3,3-dimethyl-. Butanoic acid, 2-bromo-3-methyl-. 3-Methyl hexanoic acid. Butanoic acid. Butanoic acid, 3-methyl, 1,1-dimethylethyl ester. Hexanoic acid, 3,5,5-trimethyl-. 3,7-Dimethyl-octanoic acid.

Find more compounds similar to Butanoic acid, 3-methyl-.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.